SCHEMBL4804468

SCHEMBL4804468

Cc1cccnc1N1CCN(Cc2nc3ccccc3[nH]2)CC1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 17/20 0.76
DRD2 P14416 2/20 0.67
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 1/20 0.66
CYP3A4 P08684 1/20 0.66
ALOX15 P16050 1/20 0.66
OPRK1 P41145 1/20 0.66
SIGMAR1 Q99720 1/20 0.66
HTR1A P08908 1/20 0.64
ADRA2C P18825 1/20 0.64
HTR2A P28223 1/20 0.64
GRM2 Q14416 1/20 0.58
NPC1 O15118 1/20 0.58
GAA P10253 1/20 0.58
HTT P42858 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7247899 0.86 DRD4 (0.76) DRD4DRD2KDM4EALDH1A1CYP3A4
SCHEMBL4812823 0.86 DRD4 (1.00) DRD4DRD2KDM4EALDH1A1CYP3A4
SCHEMBL14786712 0.84 PARP1 (0.69) DRD4KDM4EALDH1A1GAA
SCHEMBL4807109 0.83 DRD4 (1.00) DRD4DRD2KDM4EALDH1A1CYP3A4
SCHEMBL4809160 0.83 DRD4 (1.00) DRD4DRD2KDM4EALDH1A1CYP3A4
SCHEMBL4810310 0.81 DRD4 (0.74) DRD4DRD2KDM4EALDH1A1CYP3A4
SCHEMBL5157052 0.81 HTT (0.84) DRD4DRD2KDM4EALDH1A1CYP3A4
Abt-724 SCHEMBL1448486 0.81 DRD4 (1.00) DRD4DRD2KDM4EALDH1A1CYP3A4
Abt-724 SCHEMBL29406160 0.81 DRD4 (1.00) DRD4DRD2KDM4EALDH1A1CYP3A4
SCHEMBL23964267 0.81 USP2 (0.64) DRD4DRD2KDM4EALDH1A1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373220-B1 BENZIMIDAZOLES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LAB (US) 2007-05-30 EP claimed
US-7022728-B2 Benzimidazoles that are useful in treating male sexual dysfunction ABBOTT LABORATORIES (US) 2006-04-04 US claimed
US-6960589-B2 Benzimidazoles that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2005-11-01 US claimed
EP-1483258-A1 BENZIMIDAZOLE-DERIVATIVES FOR THE TREATMENT OF SEXUAL DYSFUNCTION Abbott Laboratories (US) 2004-12-08 EP claimed
US-20040127504-A1 Benzimidazoles that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-07-01 US claimed
US-20040110766-A1 Benzimidazoles that are useful in treating sexual dysfunction ABBVIE INC. 2004-06-10 US claimed
EP-1373220-A1 BENZIMIDAZOLES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2004-01-02 EP claimed
WO-2003076431-A1 BENZIMIDAZOLE-DERIVATIVES FOR THE TREATMENT OF SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-09-18 WO claimed
US-20030162790-A1 Benzimidazoles that are useful in treating sexual dysfunction ABBVIE INC. 2003-08-28 US claimed
US-20030008878-A1 Benzimidazoles that are useful in treating sexual dysfunction ABOTT LABORATORIES 2003-01-09 US claimed
US-20020169167-A1 Benzimidazoles that are useful in treating sexual dysfunction ABBVIE INC. 2002-11-14 US claimed
US-20020169166-A1 Benzimidazoles that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2002-11-14 US claimed
WO-2002088093-A1 BENZIMIDAZOLES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2002-11-07 WO claimed
US-7351828-B2 Benzimidazoles that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2008-04-01 US disclosed
EP-1373220-B1 BENZIMIDAZOLES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LAB (US) 2007-05-30 EP disclosed
US-7022728-B2 Benzimidazoles that are useful in treating male sexual dysfunction ABBOTT LABORATORIES (US) 2006-04-04 US disclosed
US-20030008878-A1 Benzimidazoles that are useful in treating sexual dysfunction ABOTT LABORATORIES 2003-01-09 US disclosed
US-20020169167-A1 Benzimidazoles that are useful in treating sexual dysfunction ABBVIE INC. 2002-11-14 US disclosed
US-20020169166-A1 Benzimidazoles that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2002-11-14 US disclosed
WO-2002088093-A1 BENZIMIDAZOLES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2002-11-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020169167-A1 Benzimidazoles that are useful in treating sexual dysfunction CYP19A1, CYP51A1, CYP17A1 DRD4 2278/4885DRD2 2231/4885KDM4E 2948/4885
US-20040127504-A1 Benzimidazoles that are useful in treating sexual dysfunction CYP19A1, CYP51A1, CYP17A1 DRD4 2278/4885DRD2 2231/4885KDM4E 2948/4885
US-20030008878-A1 Benzimidazoles that are useful in treating sexual dysfunction CYP19A1, CYP51A1, CYP17A1 DRD4 2278/4885DRD2 2231/4885KDM4E 2948/4885
US-20020169166-A1 Benzimidazoles that are useful in treating sexual dysfunction CYP19A1, CYP51A1, CYP17A1 DRD4 2278/4885DRD2 2231/4885KDM4E 2948/4885
US-20030162790-A1 Benzimidazoles that are useful in treating sexual dysfunction CYP19A1, CYP51A1, CYP17A1 DRD4 2278/4885DRD2 2231/4885KDM4E 2948/4885
US-20040110766-A1 Benzimidazoles that are useful in treating sexual dysfunction CYP19A1, CYP51A1, CYP17A1 DRD4 2278/4885DRD2 2231/4885KDM4E 2948/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.